Glycoside
GD144222
Name:
7-[2-(3,4-dihydroxy-2,5-dimethoxyoxolan-3-yl)ethyl]-5-hydroxy-7,8-dimethyl-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[1,8a-c]furan-3-oneFormula:
C22H34O8Smiles:
COC1OC(OC)C(O)(CCC2(C)C(C)CCC34COC(=O)C3=CC(O)CC42)C1OAglycone:
CCC1(C)C(C)CCC23COC(=O)C2=CC(O)CC31Sugarmoiety:
COC1OC(OC)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.51 | Num_heavy_atoms: | 30 |
| TPSA: | 114.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD57969
Formula: C16H24O3
Smiles:
CCC1(C)C(C)CCC23COC(=O)C2=CC(O)CC31| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.81 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.36 | Num_heavy_atoms: | 19 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
